2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole

C17H25N3O3S — CID 90937483

IUPAC2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCCC2)cc1C1=NC(C)C(C)N1
InChIInChI=1S/C17H25N3O3S/c1-4-23-16-8-7-14(24(21,22)20-9-5-6-10-20)11-15(16)17-18-12(2)13(3)19-17/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyKHFFHUIAXKNIKR-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.00
Rot. Bonds5

About 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole

2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole (PubChem CID 90937483) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
PubChem CID90937483
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCCC2)cc1C1=NC(C)C(C)N1
InChIInChI=1S/C17H25N3O3S/c1-4-23-16-8-7-14(24(21,22)20-9-5-6-10-20)11-15(16)17-18-12(2)13(3)19-17/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyKHFFHUIAXKNIKR-UHFFFAOYSA-N
XLogP2.00
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole (CID 90937483) is 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole is CCOc1ccc(S(=O)(=O)N2CCCC2)cc1C1=NC(C)C(C)N1.
What is the InChIKey of 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole?
The InChIKey is KHFFHUIAXKNIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-23-16-8-7-14(24(21,22)20-9-5-6-10-20)11-15(16)17-18-12(2)13(3)19-17/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole?
2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole has a molecular weight of 351.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90937483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).